On a mechanism low-pressure insertion of chain molecules into crystalline matrices

TL;DR

This paper proposes a microscopic mechanism explaining low-pressure insertion and separation of chain molecules in crystalline matrices, emphasizing intramolecular correlations and host activity, with implications for low-dimensional systems.

Contribution

It introduces a novel microscopic mechanism for low-pressure chain molecule insertion, linking intramolecular correlations to host activity, and explains recent experimental observations.

Findings

Mechanism explains low-pressure condensation of chain molecules.

Reproduces fine structure of isotherms.

Applicable to low-dimensional host geometries.

Abstract

A microscopic mechanism of low-pressure insertion and separation of chain-like molecules in host matrices is proposed. It is shown that the intramolecular correlations combined to appropriate host activities are responsible for a low-pressure condensation of chain molecules. This allows recover a fine structure of the isotherms and to explain recent experiments on the insertion of $C_2H_2$ and $CO_2$ guest species. We argue that the mechanism should be dominant in low-dimensional host geometries, where the entropic effects are strongly suppressed and the major factors are the chain connectivity and packing.